CID 10465246

Ethyl 3-hydroxy-3-(pyridin-3-yl)propanoate

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CCOC(=O)CC(C1=CN=CC=C1)O

InChI

InChI=1S/C10H13NO3/c1-2-14-10(13)6-9(12)8-4-3-5-11-7-8/h3-5,7,9,12H,2,6H2,1H3

InChIKey

YHUNNSMSEATGJD-UHFFFAOYSA-N

Compound name

ethyl 3-hydroxy-3-pyridin-3-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 195.08954 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.096816	142.4
[M+Na]+	218.078758	148.7
[M-H]-	194.082264	143.0
[M+NH4]+	213.123363	159.5
[M+K]+	234.052698	147.4
[M+H-H2O]+	178.086800	135.6
[M+HCOO]-	240.087741	162.7
[M+CH3COO]-	254.103391	180.6
[M+Na-2H]-	216.064206	147.2
[M]+	195.08899142	143.6
[M]-	195.09008858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe